Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CPS1 | P31327 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23354505 | 1.00 | NPC1 (0.44) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL4688965 | 0.88 | KDM4E (0.45) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL31151094 | 0.81 | NPC1 (0.64) | NPC1RAB9AHPGDCYP3A4ALDH1A1 | |
| SCHEMBL29953194 | 0.81 | MEN1 (0.43) | NPC1RAB9AHPGDCYP3A4ALDH1A1 | |
| SCHEMBL17374952 | 0.79 | CPS1 (0.55) | NPC1RAB9AHPGDCYP3A4ALDH1A1 | |
| SCHEMBL29950984 | 0.79 | GABRA1 (0.43) | HPGDALDH1A1MAPK1GABRA1GABRG2 | |
| SCHEMBL31707789 | 0.79 | NPC1 (0.45) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL29951633 | 0.78 | KDM4E (0.53) | NPC1RAB9AHPGDCYP3A4ALDH1A1 | |
| SCHEMBL18530964 | 0.77 | KMT2A (0.47) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL2560668 | 0.77 | CFTR (0.47) | HPGDALDH1A1CYP2C19KDM4EMAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |